COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991977
Chemical Name: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one
Smiles: O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/Oc2c1ccc(c2CN1CCCCCC1)O

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.849
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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